SCHEMBL7656412

SCHEMBL7656412

COC(=O)C(C)N(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)NC(=O)OC3CCCCC3)cc1)n2C)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.52
NQO2 P16083 2/20 0.52
F10 P00742 2/20 0.52
PRSS1 P07477 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
SLC22A2 O15244 1/20 0.52
PLG P00747 1/20 0.52
PLAT P00750 1/20 0.52
PROC P04070 1/20 0.52
HPN P05981 1/20 0.52
SLC47A2 Q86VL8 1/20 0.52
SLC47A1 Q96FL8 1/20 0.52
NR1I2 O75469 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
SLC6A2 P23975 1/20 0.43
AGTR1 P30556 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SCN5A Q14524 1/20 0.43
HDAC6 Q9UBN7 3/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7672765 0.88 F2 (0.58) F2NQO2F10PRSS1PRSS2
SCHEMBL7654564 0.87 NQO2 (0.65) F2NQO2F10PRSS1PRSS2
SCHEMBL6785394 0.80 F2 (0.62) F2NQO2F10PRSS1PRSS2
SCHEMBL6778939 0.77 NQO2 (0.72) F2NQO2F10PRSS1PRSS2
SCHEMBL28140926 0.77 NQO2 (0.64) F2NQO2F10PRSS1PRSS2
SCHEMBL6778873 0.77 NQO2 (0.69) F2NQO2F10PRSS1PRSS2
SCHEMBL6776070 0.76 NQO2 (0.84) F2NQO2F10PRSS1PRSS2
SCHEMBL6784887 0.76 NQO2 (0.79) F2NQO2F10PRSS1PRSS2
SCHEMBL5826270 0.76 F2 (0.62) F2NQO2F10PRSS1PRSS2
SCHEMBL28141604 0.75 NQO2 (0.71) F2NQO2F10PRSS1PRSS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414008-B1 CYNAO- OR AMIDINE-SUBSTITUTED BENZIMIDAZOLES, BENOTHIAZOLES, OR BENZOXAZOLES; 2-(N-(4-AMIDINOPHENYL)AMINOMETHYL)BENZOTHIAZOLES; 2-((4-CYANOPHENYL)OXYMETHYL)IMIDAZOL(4,5-B)PYRIDINES; ANTITHROMBOTICS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-07-02 US disclosed